0 B7R1.2 C=C1C=CC(=O)O1 1661AA [0,0,0,0,0,0|1,0,1]=2 1 B7R1.2 CC1=COC(C)=C1 Y6577 [0,0,0,0,0,0|2,0,0]=2 2 B7R1.2 CC1=NC(N)=CO1 7684AA [0,0,0,0,0,0|3,0,0]=3 3 B7R1.2 CC1C=CC(C)N1 Y9566 [0,0,0,0,0,0|1,0,2]=3 4 B7R1.2 CN1C=C[N+]([O-])=N1 2757AA [0,0,0,0,0,0|4,0,0]=4 5 B7R1.2 CN1C=NC(S)=N1 Y6166 [0,0,0,0,0,0|4,0,0]=4 6 B7R1.2 CN1N=CC(N)=N1 5924AC [0,0,0,0,0,0|4,0,0]=4 7 B7R1.2 ClC1=CC=C(Cl)O1 Z5526 [0,0,0,0,0,0|2,0,0]=2 8 B7R1.2 NC1=CC=C(Cl)S1 X8823 [0,0,0,0,0,0|2,1,0]=3 9 B7R1.2 NC1=CN=C(Br)S1 Y1249 [0,0,0,0,0,0|3,1,0]=4 10 B7R1.2 NC1=NC=C(Cl)O1 3170AJ [0,0,0,0,0,0|3,0,0]=3 11 B6R1.2 BrC1=CC=C[Se]1 7160AA [1,0,0,0,0,0|1,1,0]=3 12 B6R1.2 BrC1=CNC=C1 3908AC [1,0,0,0,0,0|3,0,0]=4 13 B6R1.2 CC1=NSC=C1 0717AC [1,0,0,0,0,0|2,0,0]=3 14 B6R1.2 CC1=[C-]CC=C1 Y1619 [1,0,0,0,0,0|1,0,1]=3 15 B6R1.2 CC1C=COC1 8769AA [1,0,0,0,0,0|2,0,1]=4 16 B6R1.2 ClC1=CNC=C1 X3741 [1,0,0,0,0,0|3,0,0]=4 17 B6R1.2 IC1=CC=CO1 Z5539 [1,0,0,0,0,0|1,0,0]=2 18 B6R1.2 NC1=CC=CS1 9765AB [1,0,0,0,0,0|1,1,0]=3 19 B6R1.2 NC1=CC=NN1 X3833 [1,0,0,0,0,0|3,0,0]=4 20 B6R1.2 NC1=CN=CO1 6270AC [1,0,0,0,0,0|2,0,0]=3 21 B6R1.2 NC1=CNC=C1 2960AB [1,0,0,0,0,0|3,0,0]=4 22 B6R1.2 NC1=COC=N1 2007AA [1,0,0,0,0,0|3,0,0]=4 23 B6R1.2 NC1=CSC=C1 W3870 [1,0,0,0,0,0|3,0,0]=4 24 B6R1.2 NC1=CSC=N1 Y1839 [1,0,0,0,0,0|3,0,0]=4 25 B6R1.2 O=C1C=CNC1 8696AB [1,0,0,0,0,0|3,0,0]=4 26 B6R1.2 O=C1CC=CN1 2602AB [1,0,0,0,0,0|2,0,1]=4 27 B6R1.2 OC1=CC=CS1 X5173 [1,0,0,0,0,0|1,1,0]=3 28 B6R1.2 [Mn]C1=CC=CC1 X6016 [1,0,0,0,0,0|2,0,0]=3 29 B8R1.1 C#CC1=NN(C)C=C1 X3849 [0,1,0,0,0,0|2,0,1]=4 30 B8R1.1 CC1=NC(CO)=CN1 6280AB [0,1,0,0,0,0|2,0,0]=3 31 B8R1.1 CC1=NC=C(C#N)S1 1820AJ [0,1,0,0,0,0|1,1,1]=4 32 B8R1.1 CC1=NC=C(CN)S1 8527AH [0,1,0,0,0,0|1,1,0]=3 33 B8R1.1 CC1=NN=C(CN)O1 X9622 [0,1,0,0,0,0|2,0,0]=3 34 B8R1.1 CC1=NNC(CN)=C1 4748AJ [0,1,0,0,0,0|3,0,0]=4 35 B8R1.1 CCC1=CNC(N)=N1 2805AJ [0,1,0,0,0,0|3,0,0]=4 36 B8R1.1 CCC1=NN=C(O)O1 1883AE [0,1,0,0,0,0|3,0,0]=4 37 B8R1.1 CCN1C=C[N+](C)=C1 0694AP [0,1,0,0,0,0|3,0,0]=4 38 B8R1.1 CN1C=CC(CCl)=N1 Y4201 [0,1,0,0,0,0|2,0,0]=3 39 B8R1.1 CSC1=CC=C(Br)S1 Z0912 [0,1,0,0,0,0|1,1,0]=3 40 B8R1.1 ClC1=CC=C([Mg]Br)S1 8222AJ [0,1,0,0,0,0|2,1,0]=4 41 B8R1.18 CC1=CC(C)=C(C)S1 Z5478 [0,1,0,0,0,0|0,1,0]=2 42 B8R1.18 CC1=NC(C)OC1C L046 [0,1,0,0,0,0|1,0,2]=4 43 B8R1.18 CC1=NN(C)C(Cl)=C1 5331AE [0,1,0,0,0,0|2,0,0]=3 44 B8R1.18 ClC1=CC(Cl)=C(Cl)S1 Z2433 [0,1,0,0,0,0|2,1,0]=4 45 B8R1.50 CC1=CSC(Br)=C1Br 4753AA [0,1,0,0,0,0|3,0,0]=4 46 B8R1.50 CC1=NC=C(N)N1C Y2099 [0,1,0,0,0,0|3,0,0]=4 47 B8R1.51 CC1(C)C=CC(=O)C1 7757AD [0,1,0,0,0,0|2,0,1]=4 48 B6R0.1 C=CC(=O)COC S897 [0,0,1,0,0,0|3,0,0]=4 49 B6R0.2 CC(=N)CC(C)=O 7397AF [0,0,1,0,0,0|3,0,0]=4 50 B6R0.2 CC(=O)\C=C(\C)[O-] 7375AF [0,0,1,0,0,0|3,0,0]=4 51 B6R0.2 CC(C)=C=C(C)C 7761AF [0,0,1,0,0,0|1,0,2]=4 52 B6R0.4 CC\C=C\C(C)=O Y8265 [0,0,1,0,0,0|0,0,2]=3 53 B8R1.3 CC1=CC=C(C)C=C1 X8103 [0,0,0,0,0,1|1,0,0]=2 54 B8R1.3 CC1=CC=C(O)C=C1 7878AF [0,0,0,0,0,1|2,0,0]=3 55 B8R1.3 NC1=CN=C(N)C=C1 N556 [0,0,0,0,0,1|3,0,0]=4 56 B8R1.4 BrC1=CC(Br)=NC=C1 4920AH [0,0,0,0,0,1|3,0,0]=4 57 B8R1.4 CC1=CC(Br)=CC=N1 2699AJ [0,0,0,0,0,1|2,0,0]=3 58 B8R1.4 CC1=CN=NC(Br)=C1 4887AA [0,0,0,0,0,1|3,0,0]=4 59 B8R1.4 FC1=CC=CC(F)=N1 9031AJ [0,0,0,0,0,1|3,0,0]=4 60 B8R1.4 FC1=CN=CC(I)=N1 3509AD [0,0,0,0,0,1|3,0,0]=4 61 B8R1.4 NC1=CC=NC(=O)N1 9012AB [0,0,0,0,0,1|3,0,0]=4 62 B8R1.4 NC1=NC(=O)C=CN1 5499AL [0,0,0,0,0,1|3,0,0]=4 63 B8R1.4 OC1=CC=CC(O)=C1 O780 [0,0,0,0,0,1|3,0,0]=4 64 B8R1.4 OC1=CC=CC(O)=N1 5119AF [0,0,0,0,0,1|3,0,0]=4 65 B5R0.1 C=CC[C@@H](C)O 1174AL [1,0,1,0,0,0|0,0,2]=4 66 B5R0.1 C\C=C/B(O)O X0977 [1,0,1,0,0,0|2,0,0]=4 67 B5R0.2 C=C\C=C\C=O Y1559 [1,0,1,0,0,0|0,0,2]=4 68 B5R0.2 C=C\C=C\CC 4582AL [1,0,1,0,0,0|0,0,2]=4 69 B5R0.2 CCO\C=C/Br 7961AD [1,0,1,0,0,0|1,0,1]=4 70 B5R0.3 COC(=O)C=O Y1686 [1,0,1,0,0,0|2,0,0]=4 71 B5R0.3 C\C=C(/C)[Mg]Br 7715AJ [1,0,1,0,0,0|2,0,0]=4 72 B7R0.2 C=CC(=O)C=C(C)C 5582AA [0,1,1,0,0,0|2,0,0]=4 73 B7R0.5 C=C(Cl)C(=O)OCC 7371AF [0,1,1,0,0,0|1,0,1]=4 74 B7R0.4 C\C=C\COC(C)=O 7476AF [0,1,1,0,0,0|0,0,2]=4 75 B7R0.6 CC(O)\C=C\C(C)O 7517AF [0,1,1,0,0,0|0,0,2]=4 76 B7R0.6 O=C(O)\C=C/C(=O)O O758 [0,1,1,0,0,0|2,0,0]=4 77 B7R0.6 O=C([O-])\C=C\C(=O)O O999 [0,1,1,0,0,0|2,0,0]=4 78 B7R1.1 BrCC1=CSC=N1 Y9346 [1,1,0,0,0,0|2,0,0]=4 79 B7R1.1 BrCC1=NC=CS1 Y7403 [1,1,0,0,0,0|1,1,0]=4 80 B7R1.1 CNC1=CC=CS1 1494AC [1,1,0,0,0,0|0,1,0]=3 81 B7R1.1 COC1=CC=CN1 Y1596 [1,1,0,0,0,0|1,0,0]=3 82 B7R1.1 COC1=COC=C1 W1886 [1,1,0,0,0,0|2,0,0]=4 83 B7R1.1 COC1=NSC=C1 Z1859 [1,1,0,0,0,0|2,0,0]=4 84 B7R1.1 ClCC1=CC=CO1 Z5545 [1,1,0,0,0,0|0,0,0]=2 85 B7R1.1 ClCC1=COC=C1 W3162 [1,1,0,0,0,0|2,0,0]=4 86 B7R1.1 ClCC1=CSC=N1 9485AJ [1,1,0,0,0,0|2,0,0]=4 87 B7R1.1 ClCC1=NC=CN1 5437AB [1,1,0,0,0,0|2,0,0]=4 88 B7R1.1 NCC1=CN=CO1 Y4206 [1,1,0,0,0,0|1,0,0]=3 89 B7R1.1 NCC1=NC=CO1 4279AC [1,1,0,0,0,0|1,0,0]=3 90 B7R1.1 NCC1=NN=CO1 1119AC [1,1,0,0,0,0|2,0,0]=4 91 B7R1.1 O=CC1=CC=NO1 8334AA [1,1,0,0,0,0|1,0,1]=4 92 B7R1.1 OCC1=CSC=N1 Y7005 [1,1,0,0,0,0|2,0,0]=4 93 B7R1.4 CC1=C(Br)OC=C1 Z5551 [1,1,0,0,0,0|1,0,0]=3 94 B7R1.4 CC1=C(C)SC=C1 Z5548 [1,1,0,0,0,0|0,1,0]=3 95 B7R1.4 CC1=C(S)CCO1 R544 [1,1,0,0,0,0|0,0,2]=4 96 B7R1.4 NC1=CCOC1=O 3957AB [1,1,0,0,0,0|1,0,1]=4 97 B7R1.4 O=C1OCC=C1Br 1872AC [1,1,0,0,0,0|1,0,1]=4 98 B7R1.15 O=C1C=C([O-])C1=O 8854AJ [0,1,0,0,1,0|2,0,0]=4 99 B9R1.1 CC1=CC=C(CN)C=N1 Y9493 [0,1,0,0,0,1|1,0,0]=3 100 B9R1.1 CC1=CC=C(CN)N=N1 0211AA [0,1,0,0,0,1|1,0,0]=3 101 B9R1.1 CC1=CC=C(N=O)C=C1 F922 [0,1,0,0,0,1|2,0,0]=4 102 B9R1.1 CC1=CC=C([Hg]Cl)C=C1 7857AF [0,1,0,0,0,1|2,0,0]=4 103 B9R1.1 CC1=CN=C(CCl)C=C1 1952AC [0,1,0,0,0,1|1,0,0]=3 104 B9R1.1 CC1=NC=C(CBr)C=C1 2397AC [0,1,0,0,0,1|1,0,0]=3 105 B9R1.1 CCC1=CC=C(Br)N=N1 7660AA [0,1,0,0,0,1|2,0,0]=4 106 B9R1.1 CCC1=CN=C(C)C=C1 6769AL [0,1,0,0,0,1|1,0,0]=3 107 B9R1.1 COC1=NC=C(C)N=C1 2866AB [0,1,0,0,0,1|2,0,0]=4 108 B9R1.1 CSC1=CN=C(F)C=C1 Y3574 [0,1,0,0,0,1|2,0,0]=4 109 B9R1.1 CSC1=NC=C(C)N=C1 2880AB [0,1,0,0,0,1|2,0,0]=4 110 B9R1.1 NC1=CC=C(CCl)N=C1 5924AH [0,1,0,0,0,1|2,0,0]=4 111 B9R1.1 NCC1=NC=C(F)C=C1 Y2001 [0,1,0,0,0,1|2,0,0]=4 112 B9R1.69 CC1=CC(N)=C(N)C=N1 3453AC [0,1,0,0,0,1|2,0,0]=4 113 B9R1.69 CC1=CC=C(C)C(C)=N1 7915AF [0,1,0,0,0,1|1,0,0]=3 114 B9R1.69 CC1=CC=C(F)N=C1C Y3886 [0,1,0,0,0,1|2,0,0]=4 115 B9R1.69 CC1=CC=C(N)C=C1O I725 [0,1,0,0,0,1|2,0,0]=4 116 B9R1.69 CC1=CN=C(C)C=[N+]1[O-] 0638AC [0,1,0,0,0,1|2,0,0]=4 117 B9R1.69 CC1=CN=C(Cl)C=C1C 1648AJ [0,1,0,0,0,1|2,0,0]=4 118 B9R1.69 CC1=CN=C(F)C=C1C Y3913 [0,1,0,0,0,1|2,0,0]=4 119 B9R1.69 CC1=NC=C(Cl)C(Cl)=C1 X3720 [0,1,0,0,0,1|2,0,0]=4 120 B9R1.2 C=CC1=CN=CC(C)=C1 2455AL [0,1,0,0,0,1|1,0,1]=4 121 B9R1.2 CC1=CC(NN)=CC=C1 7665AB [0,1,0,0,0,1|2,0,0]=4 122 B9R1.2 CCC1=NC(C)=CN=C1 R550 [0,1,0,0,0,1|1,0,0]=3 123 B9R1.2 CNC1=NC(=O)NC=C1 Z2895 [0,1,0,0,0,1|2,0,0]=4 124 B9R1.2 CNC1=NC=CC(I)=C1 Z1369 [0,1,0,0,0,1|2,0,0]=4 125 B9R1.2 CSC1=CC(F)=NC=C1 Z1346 [0,1,0,0,0,1|2,0,0]=4 126 B9R1.2 CSC1=NC(C)=CN=N1 9184AD [0,1,0,0,0,1|2,0,0]=4 127 B9R1.2 CSC1=NC=CC(=S)N1 Z2594 [0,1,0,0,0,1|2,0,0]=4 128 B9R1.2 NCC1=CC(=O)NC=C1 5769AA [0,1,0,0,0,1|2,0,0]=4 129 B9R1.2 NCC1=NC=CC(F)=N1 8778AH [0,1,0,0,0,1|2,0,0]=4 130 B9R1.2 OC1=NC(CCl)=NC=C1 Y3173 [0,1,0,0,0,1|2,0,0]=4 131 B9R1.3 CC1=C(O)C(N)=NC=C1 X3220 [0,1,0,0,0,1|2,0,0]=4 132 B9R1.3 CC1=NC=CC(Br)=C1O 4340AA [0,1,0,0,0,1|2,0,0]=4 133 B9R1.34 CC1=CC(C)=NC(C)=C1 8913AL [0,1,0,0,0,1|1,0,0]=3 134 B9R1.34 CC1=CC(C)=NC(O)=N1 7685AF [0,1,0,0,0,1|2,0,0]=4 135 B9R1.34 CC1=CC(F)=NC(O)=C1 X2037 [0,1,0,0,0,1|2,0,0]=4 136 B9R1.34 CC1=CC(I)=CC(C)=N1 2841AJ [0,1,0,0,0,1|1,0,0]=3 137 B9R1.34 CC1=CC(O)=CC(=O)N1 7748AJ [0,1,0,0,0,1|2,0,0]=4 138 B9R1.34 CC1=CC(O)=CC(F)=N1 X2038 [0,1,0,0,0,1|2,0,0]=4 139 B9R1.7 CCCC1=CN=C(Br)O1 Y3059 [0,2,0,0,0,0|2,0,0]=4 140 B9R1.7 NCCC1=CC=C(Br)S1 4915AB [0,2,0,0,0,0|1,1,0]=4 141 B9R1.7 NCCC1=CC=C(Cl)S1 1212AJ [0,2,0,0,0,0|1,1,0]=4 142 B9R1.7 O=C1CC=C(CCO)O1 3979AC [0,2,0,0,0,0|1,0,1]=4 143 B9R1.21 CCC1=NC=C(CO)N1 1332AC [0,2,0,0,0,0|2,0,0]=4 144 B9R1.21 COC1=CC=C(OC)O1 9364AJ [0,2,0,0,0,0|0,0,0]=2 145 B9R1.21 COC1=NC=C(CCl)S1 3722AF [0,2,0,0,0,0|1,1,0]=4 146 B9R1.21 ClCC1=CC=C(CCl)S1 2808AB [0,2,0,0,0,0|0,1,0]=3 147 B9R1.21 N#CC1=CC=C(CN)O1 3082AJ [0,2,0,0,0,0|0,0,1]=3 148 B9R1.22 CC1=NC(CN)=C(C)O1 Y4347 [0,2,0,0,0,0|1,0,0]=3 149 B9R1.23 CC1=CC(CBr)=NN1C Z2642 [0,2,0,0,0,0|2,0,0]=4 150 B9R1.35 CC(=O)C1=NC(C)=CS1 Y8372 [0,2,0,0,0,0|2,0,0]=4 151 B9R1.37 CC1OC(=O)C(O)=C1O 1519AE [0,2,0,0,0,0|1,0,1]=4